orbiculin F

Properties Image MNX_ID MNXM107433 reference chebi:66827 formula C34H36O11 global charge 0 mol weight 620.651 InChIKey BRLFNCXCWAFVFC-DYQOWCLGSA-N InChI InChI=1S/C34H36O11/c1-19-15-25(42-30(37)22-11-13-39-17-22)28(41-20(2)35)33(5)26(43-29(36)21-9-7-6-8-10-21)16-24-27(34(19,33)45-32(24,3)4)44-31(38)23-12-14-40-18-23/h6-14,17-19,24-28H,15-16H2,1-5H3/t19-,24-,25+,26+,27-,28+,33-,34-/m1/s1 SMILES CC(=O)O[C@H]1[C@@H](OC(=O)C2=COC=C2)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)C4=CC=CC=C4)[C@]12C)[C@H]3OC(=O)C1=COC=C1 MNX internals InChI (mnx) InChI=1/C34H36O11/c1-19-15-25(42-30(37)22-11-13-39-17-22)28(41-20(2)35)33(5)26(43-29(36)21-9-7-6-8-10-21)16-24-27(34(19,33)45-32(24,3)4)44-31(38)23-12-14-40-18-23/h6-14,17-19,24-28H,15-16H2,1-5H3/t19-,24-,25+,26+,27-,28+,33-,34-/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:15][C@H:25]([O:42][C:30]([C:22]2=[CH:17][O:39][CH:13]=[CH:11]2)=[O:37])[C@H:28]([O:41][C:20]([CH3:2])=[O:35])[C@@:33]2([CH3:5])[C@@H:26]([O:43][C:29]([C:21]3=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]3)=[O:36])[CH2:16][C@@H:24]3[C@@H:27]([O:44][C:31]([C:23]4=[CH:18][O:40][CH:14]=[CH:12]4)=[O:38])[C@:34]12[O:45][C:32]3([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0